2,2-bis[(4-nitrophenyl)methyl]propanedioic acid

Systemtic Name: 2,2-bis[(4-nitrophenyl)methyl]propanedioic acid Openeye Name: 2,2-bis[(4-nitrophenyl)methyl]propanedioic acid CAS Name: 2,2-bis[(4-nitrophenyl)methyl]propanedioic acid IUPAC Name: 2,2-bis[(4-nitrophenyl)methyl]propanedioic acid Traditional Name: 2,2-bis(4-nitrobenzyl)malonic acid Formula: C17H14N2O8 MolecularWeight: 374.30166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(CC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O8/c20-15(21)17(16(22)23,9-11-1-5-13(6-2-11)18(24)25)10-12-3-7-14(8-4-12)19(26)27/h1-8H,9-10H2,(H,20,21)(H,22,23)